5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole

C16H15F2N5O — CID 74232330

IUPAC5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1
InChIInChI=1S/C16H15F2N5O/c1-9-19-15(24-22-9)8-23-5-4-13-14(7-23)21-16(20-13)11-3-2-10(17)6-12(11)18/h2-3,6H,4-5,7-8H2,1H3,(H,20,21)
InChIKeyMPVRPQCDUAQTMI-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.60
Rot. Bonds3

About 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 74232330) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID74232330
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1
InChIInChI=1S/C16H15F2N5O/c1-9-19-15(24-22-9)8-23-5-4-13-14(7-23)21-16(20-13)11-3-2-10(17)6-12(11)18/h2-3,6H,4-5,7-8H2,1H3,(H,20,21)
InChIKeyMPVRPQCDUAQTMI-UHFFFAOYSA-N
XLogP2.60
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 74232330) is 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1.
What is the InChIKey of 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MPVRPQCDUAQTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-9-19-15(24-22-9)8-23-5-4-13-14(7-23)21-16(20-13)11-3-2-10(17)6-12(11)18/h2-3,6H,4-5,7-8H2,1H3,(H,20,21).
What are the key properties of 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 331.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 74232330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).